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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-3942
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Th', 'I', 'N']
  • Chemical System: I-N-Th
  • Density: 7.806006324330466
  • Atomic Density: 0.03781388866909327
  • Unit Cell Volume: 158.67185870529175
  • Molar Volume: 15.925737796234973
  • Full Formula: Th2 I2 N2
  • Reduced Formula: ThIN
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm